Geometry & MOs

Info

ID:	7459
PubChem CID:	72752
Reduced:	NSO7H9C14 (1)
Stoich.:	ABC7D9E14 (1)
Weight, g/mol:	335.009973
ΔH_f, kcal/mol:	-242.11
Dipole, Da:	2.66
IP(EA), eV:	-8.57(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1,3-dihydroxy-9,10-dioxoanthracene-2-sulfonic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3N)O)S(=O)(=O)O)O

DOS

IR

Vibrations